N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide

C8H19NO2 — CID 102416787

IUPACN-(2-hydroxyethyl)-N-propylpropan-1-amine oxide
SMILESCCC[N+]([O-])(CCC)CCO
InChIInChI=1S/C8H19NO2/c1-3-5-9(11,6-4-2)7-8-10/h10H,3-8H2,1-2H3
InChIKeyMXHIQXVQMDHNPP-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.11
Rot. Bonds6

About N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide

N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide (PubChem CID 102416787) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propylpropan-1-amine oxide
PubChem CID102416787
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC NameN-(2-hydroxyethyl)-N-propylpropan-1-amine oxide
SMILESCCC[N+]([O-])(CCC)CCO
InChIInChI=1S/C8H19NO2/c1-3-5-9(11,6-4-2)7-8-10/h10H,3-8H2,1-2H3
InChIKeyMXHIQXVQMDHNPP-UHFFFAOYSA-N
XLogP1.11
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N-tetradecyltetradecan-1-amine oxide;dihydrate
CID 87317132
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113
bis(2-hydroxyethyl)-[2-(2-hydroxyethyl-methyl-propylazaniumyl)ethyl]-methylazanium
CID 159063844
2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 22833505
N,N,N',N'-tetraethylethane-1,2-diamine oxide
CID 20535654
dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium
CID 23459330
N,N,N',N'-tetrabutylpentane-1,5-diamine oxide
CID 102443928
N,N,N',N'-tetrabutyldecane-1,10-diamine oxide
CID 102443929
formic acid;2-hydroxyethyl-methyl-dipropylazanium
CID 88813564
(E)-N-[(E)-oct-5-enyl]-N-propyloct-5-en-1-amine oxide
CID 102116456
hydroxymethyl(tripropyl)azanium
CID 54406855
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide?
The IUPAC name of N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide (CID 102416787) is N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide is CCC[N+]([O-])(CCC)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide?
The InChIKey is MXHIQXVQMDHNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-5-9(11,6-4-2)7-8-10/h10H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide?
N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide has a molecular weight of 161.25 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propylpropan-1-amine oxide is sourced from PubChem (CID 102416787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).